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TitleDiscovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
Journal, issue, pagesACS Med Chem Lett, Vol. 2, Page 747-751, Year 2011
Publish dateDec 23, 2010 (structure data deposition date)
AuthorsJia, L. / Simpson, R.D. / Yuan, J. / Xu, Z. / Zhao, W. / Cacatian, S. / Tice, C.M. / Guo, J. / Ishchenko, A. / Singh, S.B. ...Jia, L. / Simpson, R.D. / Yuan, J. / Xu, Z. / Zhao, W. / Cacatian, S. / Tice, C.M. / Guo, J. / Ishchenko, A. / Singh, S.B. / Wu, Z. / McKeever, B.M. / Bukhtiyarov, Y. / Johnson, J.A. / Doe, C.P. / Harrison, R.K. / McGeehan, G.M. / Dillard, L.W. / Baldwin, J.J. / Claremon, D.A.
External linksACS Med Chem Lett / PubMed:24900262
MethodsX-ray diffraction
Resolution2.16 - 2.19 Å
Structure data

PDB-3q4b:
Clinically Useful Alkyl Amine Renin Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-3q5h:
Clinically Useful Alkyl Amine Renin Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-CL:
Unknown entry

ChemComp-RX5:
methyl

ChemComp-HOH:
WATER

ChemComp-RX6:
methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / aspartate protease / hypertension / renin expression / renin inhibitor / aspartyl protease / cleavage on pair of basic residues / glycoprotein / membrane / protease / secreted / HYDROLASE-HYDROLASE INHIBITOR complex / disease mutation

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